2-(4,6-di-tert-butylbenzoxazol-2-yl)ethyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyl-(1->3)-[2,3,4-tri-O-acetyl-α-L-fucopyranosyl-(1->2)]-4,6-di-O-acetyl-β-D-galactopyranoside | 287194-81-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(4,6-di-tert-butylbenzoxazol-2-yl)ethyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyl-(1->3)-[2,3,4-tri-O-acetyl-α-L-fucopyranosyl-(1->2)]-4,6-di-O-acetyl-β-D-galactopyranoside
• 英文别名: [(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[(2R,3S,4S,5R,6R)-3-acetyloxy-2-(acetyloxymethyl)-6-[2-(5,7-ditert-butyl-1,3-benzoxazol-2-yl)ethoxy]-5-[(2S,3S,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxyoxan-2-yl]methyl acetate
• CAS: 287194-81-4
• 化学式: C₅₃H₇₄N₂O₂₄
• 分子量: 1123.17
• InChiKey: PKOGBBOHRZFZCO-QDDVITBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  79
• 可旋转键数：
  29
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  321
• 氢给体数：
  1
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  2-(4,6-di-tert-butylbenzoxazol-2-yl)ethyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyl-(1->3)-[2,3,4-tri-O-acetyl-α-L-fucopyranosyl-(1->2)]-4,6-di-O-acetyl-β-D-galactopyranoside 在 sodium acetate 、 乙酸肼 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 240.33h， 生成
  参考文献：
  名称：

  Block synthesis of A tetrasaccharides (types 1, 3, and 4) related to the human ABO blood group system

  摘要：

  Blood group A tetrasaccharides of different types have the same terminal trisaccharide fragment that allows using a block scheme in their synthesis. 3-Aminopropyl glycosides of tetrasaccharides GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GlcNAc beta (A type 1), GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GalNAc alpha (A type 3), and GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GalNAc beta (A type 4) were synthesised using acetylated Gal alpha 1-3(Fuc alpha 1-2)Gal trichloroacetimidate as a glycosyl donor at the key stage. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.12.013
• 作为产物：
  描述：

  、 乙酸酐 在 吡啶 作用下， 反应 48.0h， 以1.04 g的产率得到2-(4,6-di-tert-butylbenzoxazol-2-yl)ethyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-galactopyranosyl-(1->3)-[2,3,4-tri-O-acetyl-α-L-fucopyranosyl-(1->2)]-4,6-di-O-acetyl-β-D-galactopyranoside
  参考文献：
  名称：

  Block synthesis of A tetrasaccharides (types 1, 3, and 4) related to the human ABO blood group system

  摘要：

  Blood group A tetrasaccharides of different types have the same terminal trisaccharide fragment that allows using a block scheme in their synthesis. 3-Aminopropyl glycosides of tetrasaccharides GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GlcNAc beta (A type 1), GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GalNAc alpha (A type 3), and GalNAc alpha 1-3(Fuc alpha 1-2)Gal beta 1-3GalNAc beta (A type 4) were synthesised using acetylated Gal alpha 1-3(Fuc alpha 1-2)Gal trichloroacetimidate as a glycosyl donor at the key stage. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.12.013